5-(5,11-difluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(1-fluoro-2-hydroxyethyl)-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate

C75H67F6N9O13S2 — CID 157469325

About 5-(5,11-difluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(1-fluoro-2-hydroxyethyl)-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate

5-(5,11-difluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(1-fluoro-2-hydroxyethyl)-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate (PubChem CID 157469325) has the molecular formula C75H67F6N9O13S2 and a molecular weight of 1480.53 g/mol. Its IUPAC name is 5-(5,11-difluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(1-fluoro-2-hydroxyethyl)-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate.

Molecular Properties

• Compound Name: 5-(5,11-difluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(1-fluoro-2-hydroxyethyl)-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate
• PubChem CID: 157469325
• Molecular Formula: C75H67F6N9O13S2
• Molecular Weight: 1480.53 g/mol
• Exact Mass: 1479.42
• IUPAC Name: 5-(5,11-difluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(1-fluoro-2-hydroxyethyl)-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate
• SMILES: CC(C)OC(=O)N=NC(=O)OC(C)C.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(C(F)CO)c(C4=Cc5c(F)cccc5C4)n3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4F)cc12
• InChI: InChI=1S/C34H28F3N3O5S.C33H25F3N4O4S.C8H14N2O4/c1-38-34(42)31-25-15-24(29(40(2)46(3,43)44)16-30(25)45-33(31)18-7-9-21(35)10-8-18)28-12-11-22(27(37)17-41)32(39-28)20-13-19-5-4-6-26(36)23(19)14-20;1-37-33(41)30-22-13-21(27(39(2)45(3,42)43)15-29(22)44-32(30)17-7-9-18(34)10-8-17)25-12-11-19-24(36)16-40-26-6-4-5-23(35)20(26)14-28(40)31(19)38-25;1-5(2)13-7(11)9-10-8(12)14-6(3)4/h4-12,14-16,27,41H,13,17H2,1-3H3,(H,38,42);4-15,24H,16H2,1-3H3,(H,37,41);5-6H,1-4H3
• InChIKey: BUVNCVFJKIGGSE-UHFFFAOYSA-N
• XLogP: 15.66
• TPSA: 287.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1480.53
LogP ≤ 5	15.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(5,11-difluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(1-fluoro-2-hydroxyethyl)-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate?

The IUPAC name of 5-(5,11-difluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(1-fluoro-2-hydroxyethyl)-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate (CID 157469325) is 5-(5,11-difluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(1-fluoro-2-hydroxyethyl)-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate.

What is the SMILES notation for 5-(5,11-difluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(1-fluoro-2-hydroxyethyl)-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate?

The canonical SMILES for 5-(5,11-difluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(1-fluoro-2-hydroxyethyl)-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate is CC(C)OC(=O)N=NC(=O)OC(C)C.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(C(F)CO)c(C4=Cc5c(F)cccc5C4)n3)cc12.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4F)cc12.

What is the InChIKey of 5-(5,11-difluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(1-fluoro-2-hydroxyethyl)-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate?

The InChIKey is BUVNCVFJKIGGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28F3N3O5S.C33H25F3N4O4S.C8H14N2O4/c1-38-34(42)31-25-15-24(29(40(2)46(3,43)44)16-30(25)45-33(31)18-7-9-21(35)10-8-18)28-12-11-22(27(37)17-41)32(39-28)20-13-19-5-4-6-26(36)23(19)14-20;1-37-33(41)30-22-13-21(27(39(2)45(3,42)43)15-29(22)44-32(30)17-7-9-18(34)10-8-17)25-12-11-19-24(36)16-40-26-6-4-5-23(35)20(26)14-28(40)31(19)38-25;1-5(2)13-7(11)9-10-8(12)14-6(3)4/h4-12,14-16,27,41H,13,17H2,1-3H3,(H,38,42);4-15,24H,16H2,1-3H3,(H,37,41);5-6H,1-4H3.

What are the key properties of 5-(5,11-difluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(1-fluoro-2-hydroxyethyl)-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate?

5-(5,11-difluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(1-fluoro-2-hydroxyethyl)-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate has a molecular weight of 1480.53 g/mol, XLogP of 15.66, 15 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5,11-difluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-[5-(1-fluoro-2-hydroxyethyl)-6-(4-fluoro-1H-inden-2-yl)-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;propan-2-yl N-propan-2-yloxycarbonyliminocarbamate is sourced from PubChem (CID 157469325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).